1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid

C15H26N2O3 — CID 61195802

IUPAC1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)N(CC)C2CC2)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-3-11-7-9-15(10-8-11,13(18)19)16-14(20)17(4-2)12-5-6-12/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPHIFBYMBZANQNP-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.60
Rot. Bonds5

About 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid

1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 61195802) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
PubChem CID61195802
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)N(CC)C2CC2)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-3-11-7-9-15(10-8-11,13(18)19)16-14(20)17(4-2)12-5-6-12/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPHIFBYMBZANQNP-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid (CID 61195802) is 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)N(CC)C2CC2)(C(=O)O)CC1.
What is the InChIKey of 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is PHIFBYMBZANQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-11-7-9-15(10-8-11,13(18)19)16-14(20)17(4-2)12-5-6-12/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid?
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61195802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).